[1-(3-cyano-5-isoquinolin-6-yl-phenoxy)-3-(1H-indol-3-yl)propan-2-yl]carbamic acid

Systemtic Name: [1-(3-cyano-5-isoquinolin-6-yl-phenoxy)-3-(1H-indol-3-yl)propan-2-yl]carbamic acid Openeye Name: [1-[[3-cyano-5-(6-isoquinolyl)phenoxy]methyl]-2-(1H-indol-3-yl)ethyl]carbamic acid CAS Name: [1-[3-cyano-5-(6-isoquinolinyl)phenoxy]-3-(1H-indol-3-yl)propan-2-yl]carbamic acid IUPAC Name: [1-(3-cyano-5-isoquinolin-6-ylphenoxy)-3-(1H-indol-3-yl)propan-2-yl]carbamic acid Traditional Name: [1-[[3-cyano-5-(6-isoquinolyl)phenoxy]methyl]-2-(1H-indol-3-yl)ethyl]carbamic acid Formula: C28H22N4O3 MolecularWeight: 462.49928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CC(=CC(=C3)C4=CC5=C(C=C4)C=NC=C5)C#N)NC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CC(=CC(=C3)C4=CC5=C(C=C4)C=NC=C5)C#N)NC(=O)O

InChI

InChI=1S/C28H22N4O3/c29-14-18-9-22(19-5-6-21-15-30-8-7-20(21)11-19)13-25(10-18)35-17-24(32-28(33)34)12-23-16-31-27-4-2-1-3-26(23)27/h1-11,13,15-16,24,31-32H,12,17H2,(H,33,34)